Mol:FL3FAENSS003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3274 -0.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3274 -0.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3274 -1.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3274 -1.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8764 -1.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8764 -1.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4253 -1.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4253 -1.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4253 -0.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4253 -0.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8764 -0.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8764 -0.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0258 -1.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0258 -1.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4768 -1.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4768 -1.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4768 -0.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4768 -0.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0258 -0.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0258 -0.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0258 -1.9868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0258 -1.9868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9277 -0.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9277 -0.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3874 -0.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3874 -0.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8472 -0.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8472 -0.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8472 -0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8472 -0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3874 0.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3874 0.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9277 -0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9277 -0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3874 0.7879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3874 0.7879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7776 -0.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7776 -0.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8764 -2.1004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8764 -2.1004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3408 1.4611 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3408 1.4611 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9683 1.4611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9683 1.4611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3032 2.1004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3032 2.1004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7228 1.4611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7228 1.4611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4954 -0.5189 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4954 -0.5189 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4954 0.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4954 0.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1518 -0.5189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1518 -0.5189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4954 -1.2431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4954 -1.2431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4374 0.3325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4374 0.3325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1518 -0.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1518 -0.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 21 24 2 0 0 0 0 | + | 21 24 2 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 25 28 2 0 0 0 0 | + | 25 28 2 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 31 -6.0089 3.5527 | + | M SBV 1 31 -6.0089 3.5527 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAENSS003 | + | ID FL3FAENSS003 |
| − | KNApSAcK_ID C00004368 | + | KNApSAcK_ID C00004368 |
| − | NAME Luteolin 4'-methyl ether 7,3'-disulfate | + | NAME Luteolin 4'-methyl ether 7,3'-disulfate |
| − | CAS_RN 59176-64-6 | + | CAS_RN 59176-64-6 |
| − | FORMULA C16H12O12S2 | + | FORMULA C16H12O12S2 |
| − | EXACTMASS 459.977017228 | + | EXACTMASS 459.977017228 |
| − | AVERAGEMASS 460.39128 | + | AVERAGEMASS 460.39128 |
| − | SMILES COc(c3)c(cc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)cc1OS(O)(=O)=O)OS(O)(=O)=O | + | SMILES COc(c3)c(cc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)cc1OS(O)(=O)=O)OS(O)(=O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-1.3274 -0.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3274 -1.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8764 -1.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4253 -1.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4253 -0.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8764 -0.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0258 -1.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4768 -1.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4768 -0.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0258 -0.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0258 -1.9868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9277 -0.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3874 -0.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8472 -0.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8472 -0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3874 0.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9277 -0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3874 0.7879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7776 -0.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8764 -2.1004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3408 1.4611 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.9683 1.4611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3032 2.1004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7228 1.4611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4954 -0.5189 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.4954 0.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1518 -0.5189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4954 -1.2431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4374 0.3325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1518 -0.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
16 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 2 0 0 0 0
21 24 2 0 0 0 0
18 21 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
25 28 2 0 0 0 0
19 25 1 0 0 0 0
21 23 1 0 0 0 0
15 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 31
M SMT 1 OCH3
M SBV 1 31 -6.0089 3.5527
S SKP 8
ID FL3FAENSS003
KNApSAcK_ID C00004368
NAME Luteolin 4'-methyl ether 7,3'-disulfate
CAS_RN 59176-64-6
FORMULA C16H12O12S2
EXACTMASS 459.977017228
AVERAGEMASS 460.39128
SMILES COc(c3)c(cc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)cc1OS(O)(=O)=O)OS(O)(=O)=O
M END
